SCHEMBL22299579

SCHEMBL22299579

CCCCCC(C)c1ccnc(F)c1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.36
GPR84 Q9NQS5 2/20 0.35
ADA P00813 2/20 0.33
HRH4 Q9H3N8 1/20 0.32
KDM4E B2RXH2 2/20 0.32
HPGD P15428 1/20 0.32
SLC2A1 P11166 1/20 0.32
BDKRB2 P30411 1/20 0.32
NR1I2 O75469 1/20 0.31
ADRB2 P07550 3/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22260647 0.98 GPR84 (0.37) LOXL2GPR84ADAHRH4KDM4E
SCHEMBL21398388 0.88 LOXL2 (0.39) LOXL2HRH4KDM4E
SCHEMBL22260475 0.84 NR1I2 (0.37) LOXL2GPR84ADAKDM4EHPGD
SCHEMBL5495738 0.83 GPR84 (0.36) GPR84ADAKDM4EHPGDSLC2A1
SCHEMBL5973792 0.82 GPR84 (0.38) GPR84ADAKDM4EHPGDSLC2A1
SCHEMBL22298879 0.82 UHRF1 (0.38) GPR84ADAKDM4EHPGDSLC2A1
SCHEMBL13069835 0.81 LOXL2 (0.41) LOXL2HRH4HPGD
SCHEMBL18879378 0.81 KDM4E (0.38) GPR84ADAKDM4EHPGDSLC2A1
SCHEMBL18855187 0.79 NOS3 (0.42) GPR84ADAKDM4EHPGDSLC2A1
SCHEMBL20793984 0.79 LOXL2 (0.40) LOXL2GPR84ADAHRH4NR1I2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200247815-A1 PYRAZOLYL-CONTAINING TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2020-08-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200247815-A1 PYRAZOLYL-CONTAINING TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF MAPK1, MAPK11, MAPK14 LOXL2 2570/4885GPR84 3682/4885ADA 4448/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.